SCHEMBL22790759

SCHEMBL22790759

CC(C)N1CCN(c2ccc(CNCCCOCCCS)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HRH3 Q9Y5N1 5/20 0.38
▸ CXCR4 P61073 6/20 0.35
▸ NCF1 P14598 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC4 P56524 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25110212 0.88 KDM4E (0.42) KDM4EALDH1A1MAPTPKMTDP1
SCHEMBL25109776 0.86 HRH3 (0.46) KDM4EALDH1A1MAPTPKMTDP1
SCHEMBL24513990 0.85 KDM4E (0.41) KDM4EALDH1A1MAPTPKMTDP1
SCHEMBL22793930 0.85 KDM4E (0.43) KDM4EALDH1A1MAPTPKMTDP1
SCHEMBL22793929 0.84 KDM4E (0.42) KDM4EALDH1A1MAPTPKMTDP1
SCHEMBL22793925 0.83 KDM4E (0.39) KDM4EALDH1A1MAPTPKMTDP1
SCHEMBL24513989 0.83 KDM4E (0.41) KDM4EALDH1A1MAPTPKMTDP1
SCHEMBL25110817 0.81 KDM4E (0.42) KDM4EALDH1A1MAPTTDP1THRB
SCHEMBL25468397 0.79 KDM4E (0.47) KDM4EALDH1A1MAPTPKMTDP1
SCHEMBL25111268 0.79 HRH4 (0.43) KDM4ETDP1THRBHRH3SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020251972-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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